Basic information
- CAS
66940-61-2- Standard SMILES
CC(C)CC1(C2C=CCC2)C(=O)NC(=O)NC1=O- InChIKey
FXJHZYJGXPWKPZ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-cyclopentenyl)-5-isobutyl-
- IUPAC
- 5-cyclopent-2-en-1-yl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclopentenyl)-5-isobutylbarbituric acid
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
66940-61-2BARBITURIC ACID, 5-(2-CYCLOPENTENYL)-5-ISOBUTYL-RefChem:10775795-(2-Cyclopentenyl)-5-isobutylbarbituric acidBRN 0270462DTXSID409856255-(Cyclopent-2-en-1-yl)-4,6-dihydroxy-5-(2-methylpropyl)pyrimidin-2(5H)-one5-(2-Cyclopentenyl)-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-5-(2-methylpropyl)-
Database identifiers
- CAS
66940-61-2- PubChem CID
- 48408
- DTXSID
DTXSID40985625- Nikkaji
- J105.430I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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